1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine

C13H19ClFNO — CID 103029511

IUPAC1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyGDZDFSUBWBFVKU-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.16
Rot. Bonds5

About 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine

1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine (PubChem CID 103029511) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
PubChem CID103029511
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(N)Cc1ccc(Cl)cc1F
InChIInChI=1S/C13H19ClFNO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3
InChIKeyGDZDFSUBWBFVKU-UHFFFAOYSA-N
XLogP3.16
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-3-methoxypropan-1-amine
CID 84116590
3-Amino-3-(4-chloro-3-fluorophenyl)propan-1-ol
CID 62387669
2-(4-Chlorophenyl)-5-methoxypentan-1-amine
CID 79441976
1-(3-Fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024897
1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103024949
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,4-dimethylpentan-2-amine
CID 103024950
1-(2-chloro-6-fluorophenyl)-N-ethyl-4-methoxy-4-methylpentan-2-amine
CID 103024951
1-(2-chloro-6-fluorophenyl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103024952
1-(2,4-Difluorophenyl)-4-methoxy-4-methylpentan-2-amine
CID 103025004
[1-(2-Chloro-6-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025206
[1-(4-Chloro-2-fluorophenyl)-3-methoxy-3-methylbutyl]hydrazine
CID 103025440
[1-(2-Chloro-3-fluorophenyl)-4-methoxy-4-methylpentan-2-yl]hydrazine
CID 103025467

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine (CID 103029511) is 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(N)Cc1ccc(Cl)cc1F.
What is the InChIKey of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
The InChIKey is GDZDFSUBWBFVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClFNO/c1-13(2,17-3)8-11(16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,6,8,16H2,1-3H3.
What are the key properties of 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine?
1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine has a molecular weight of 259.75 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-fluorophenyl)-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 103029511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).